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32838-28-1

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Basic Information
CAS No.: 32838-28-1
Name: Butoctamide
Molecular Structure:
Molecular Structure of 32838-28-1 (Butoctamide)
Formula: C16H29 N O5
Molecular Weight: 315.46
Synonyms: Butanedioicacid, mono[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester (9CI); Succinicacid, monoester with N-(2-ethylhexyl)-3-hydroxybutyramide (8CI); BAHS;Butoctamide hydrogen succinate; Butoctamide succinate; Listomin S; M 2H; M 2H(ester); N-(2-Ethylhexyl)-3-hydroxybutyramide semisuccinate; N-(2-Ethylhexyl)-b-hydroxybutyramide semisuccinate;N-2-Ethylhexyl-b-oxybutyramidesemisuccinate
Density: 1.06g/cm3
Melting Point: 46.5°
Boiling Point: 514.6°Cat760mmHg
Flash Point: 265°C
Safety: Moderately toxic by intraperitoneal, ingestion and subcutaneous routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
PSA: 96.19000
LogP: 3.34590
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Chemistry

 Butoctamide semisuccinate ,its CAS register number 32838-28-1,it's also named as BAHS ; Butanedioic acid, mono[3-[(2-ethylhexyl)amino]-1-methyl-3-oxopropyl] ester ; Butoctamide hydrogen succinate ; Butoctamide semisuccinate ; Listomin S ; Butoctamide hemisuccinate ; M-2H ; CID2486 ,and so on.

IUPAC Name: 4-[4-(2-Ethylhexylamino)-4-oxobutan-2-yl]oxy-4-oxobutanoic acid
CAS: 32838-28-1
Molecular Formula:  C16H29NO5
Molecular Weight: 315.4052
Molecular structure:
ACD/LogD (pH 5.5): 1.56 
ACD/LogD (pH 7.4): -0.24 
ACD/BCF (pH 5.5): 4.75 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 49.76 
ACD/KOC (pH 7.4): 1 
H bond acceptors: 6 
H bond donors: 2 
Freely Rotating Bonds: 13 
Index of Refraction: 1.47 
Molar Refractivity: 83.05 cm3 
Molar Volume: 297.4 cm3 
Polarizability: 32.92 10-24cm3 
Surface Tension: 38.9 dyne/cm 
Density: 1.06 g/cm3 
Flash Point: 265 °C 
Enthalpy of Vaporization: 86.05 kJ/mol 
Boiling Point: 514.6 °C at 760 mmHg 
Vapour Pressure: 5.61E-12 mmHg at 25°C 

Uses

 Butoctamide semisuccinate (CAS No.32838-28-1) is supposed to be used as pharmaceutical intermediate.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 473mg/kg (473mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 648, 1971.
mouse LD50 oral 5600mg/kg (5600mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 648, 1971.
mouse LD50 subcutaneous 3130mg/kg (3130mg/kg)   Drugs in Japan Vol. -, Pg. 1098, 1995.
rat LD50 intraperitoneal 635mg/kg (635mg/kg)   Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 18, Pg. 648, 1971.
rat LD50 oral 12100mg/kg (12100mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 2029, 1982.
rat LD50 subcutaneous 2510mg/kg (2510mg/kg)   Drugs in Japan Vol. -, Pg. 1098, 1995.

Safety Profile

Moderately toxic by intraperitoneal, ingestion and subcutaneous routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.

Specification

Removal in wastewater treatment of Butoctamide semisuccinate (CAS No.32838-28-1) can be stated as follows:
Total removal:4.66  percent
Total biodegradation:0.12  percent
Total sludge adsorption:4.55  percent
Total to Air:0.00  percent
(using 10000 hr Bio P,A,S)